› 2x1e

X-ray diffraction
2Å resolution

The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid

Released:
DOI: 10.2210/pdb2x1e/pdb
PDB entry 2x1e coloured by chain, front view.
PDB entry 2x1e coloured by chain, side view.
PDB entry 2x1e coloured by chain, top view.
Source organism: Penicillium chrysogenum
Primary publication:
Structures of an isopenicillin N converting Ntn-hydrolase reveal different catalytic roles for the active site residues of precursor and mature enzyme.
Bokhove M, Yoshida H, Hensgens CM, van der Laan JM, Sutherland JD, Dijkstra BW
Structure 18 301-8 (2010)
PMID: 20223213

Function and Biology Details

Reaction catalysed: 
Phenylacetyl-CoA + isopenicillin N + H(2)O = CoA + penicillin G + L-2-aminohexanedioate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147488 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isopenicillin-N N-acyltransferase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 357 amino acids
Theoretical weight: 40.02 KDa
Source organism: Penicillium chrysogenum
Expression system: Escherichia coli
UniProt:
  • Canonical: P15802 (Residues: 1-357; Coverage: 100%)
Gene names: aatA, penDE
Sequence domains: Acyl-coenzyme A:6-aminopenicillanic acid acyl-transferase
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand PO4 3 x PO4
Ligand GOL 7 x GOL
Ligand X1E 1 x X1E
Ligand CL 1 x CL
1 modified residue:
Ligand CSD 4 x CSD

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7A
Spacegroup: C2
Unit cell:
a: 198.18Å b: 68.38Å c: 146.57Å
α: 90° β: 128.81° γ: 90°
R-values:
R R work R free
0.178 0.177 0.202
Expression system: Escherichia coli

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Citations

2 review citations

The enzymes of β-lactam biosynthesis.
Hamed et al. (2013)
1 more